Structure Information
Structure

Compound Identification

SMILES

CC1=CC(N2C(CNC(=O)C3=CC(=C(C)C=C3)[N+]([O-])=O)=NN=C2SCC(=O)NC2=NC3=CC=CC=C3S2)=C(C)C=C1

InChIKey

InChIKey=PXXLMRLRYWKPKD-UHFFFAOYSA-N

Formula

C28H25N7O4S2

Mass

587.67

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Triazoles

Intermediate Tree Nodes

Phenyltriazoles

Direct Parent

Phenyl-1,2,4-triazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenyl-1,2,4-triazole - Benzamide - Benzoic acid or derivatives - 1,3-benzothiazole - Nitrobenzene - Nitrotoluene - Toluamide - P-toluamide - Xylene - Aryl thioether - Nitroaromatic compound - Benzoyl - P-xylene - N-arylamide - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiazole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Thioether - Sulfenyl compound - Carbonyl group - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.

External Descriptors

Not available

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